The integration of data from physics-based simulations and experiments within a decision-making framework has the potential to revolutionize the discovery, optimization and certification of materials and devices. Transforming this vision into a reality requires the rapid transition of cutting-edge research codes to instructors training next generations of engineers and scientists and to researchers who can use them in design and optimization efforts. nanoHUB’s cyber-infrastructure empowers simulation tool developers to make their codes universally accessible and useful via cloud computing and empowers users who can run hundreds of tools using a web-browser or tablet, free of charge, and without the need to download or install any software nor to provide compute cycles.

Over 300,000 users from around the world use nanoHUB resources every year and 12,000+ of them perform online simulations. This talk will illustrate how lowering the barriers to powerful simulations is enabling a wave of innovation in materials education. Simulations traditionally restricted to expert users are now enabling undergraduate students develop a more intuitive understanding of how materials look and work. Example includes the use of molecular dynamics to understand plastic deformation in metals and density functional calculations to learn about electronic structure and bonding in semiconductors. In addition to making simulation tools accessible to any user with access to the Internet, nanoHUB offers education material ranging from short learning modules to full courses integrated within a course management infrastructure. Instructors have access to a powerful organizational structure for presenting content, forums for threaded discussions, a gradebook that monitors student progress, a mechanism for self-testing, and a projects module where student teams can collaborate, plan and execute course projects. Instructors can both benefit from these materials and contribute their own resources and reach nanoHUB’s global audience.

Before joining Purdue, Ale was a Staff Member in the Theoretical Division of Los Alamos National Laboratory and worked as a Postdoctoral Scholar and Scientist at Caltech. He received a Ph.D. in physics from the University of Buenos Aires, Argentina, in 1999. Among other recognitions, Prof. Strachan was named a Purdue University Faculty Scholar (2012-2017), received the Early Career Faculty Fellow Award from TMS in 2009 and the Schuhmann Best Undergraduate Teacher Award from Purdue University, in 2007. Professor Strachan’s research focuses on the development of predictive atomistic and molecular simulation methodologies. Application areas of interest include: coupled electronic, thermal, and mechanic processes in nano- electronics, MEMS, and energy conversion devices, thermo-mechanical response and chemistry of polymer composites, and molecular solids as well as active materials including shape memory and high-energy density materials.

Network for Computational Nanotechnology

Researchers should cite this work as follows:

• Alejandro Strachan (2016), "nanoHUB: Cloud Scientific Computing in Materials Education and Research," https://nanohub.org/resources/22724.

  BibTex | EndNote

1. e-science
2. Simulation